(1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene

C15H27BrO2 — CID 22749331

IUPAC(1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene
SMILESCCOC(C)OC1/C=C(/Br)CCCCCCCC1
InChIInChI=1S/C15H27BrO2/c1-3-17-13(2)18-15-11-9-7-5-4-6-8-10-14(16)12-15/h12-13,15H,3-11H2,1-2H3/b14-12+
InChIKeyUECRPZMTENCPRO-WYMLVPIESA-N
MW319.28 g/mol
LogP5.17
Rot. Bonds4

About (1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene

(1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene (PubChem CID 22749331) has the molecular formula C15H27BrO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is (1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene.

Molecular Properties

Compound Name(1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene
PubChem CID22749331
Molecular FormulaC15H27BrO2
Molecular Weight319.28 g/mol
Exact Mass318.12
IUPAC Name(1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene
SMILESCCOC(C)OC1/C=C(/Br)CCCCCCCC1
InChIInChI=1S/C15H27BrO2/c1-3-17-13(2)18-15-11-9-7-5-4-6-8-10-14(16)12-15/h12-13,15H,3-11H2,1-2H3/b14-12+
InChIKeyUECRPZMTENCPRO-WYMLVPIESA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.28
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene?
The IUPAC name of (1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene (CID 22749331) is (1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene.
What is the SMILES notation for (1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene?
The canonical SMILES for (1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene is CCOC(C)OC1/C=C(/Br)CCCCCCCC1.
What is the InChIKey of (1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene?
The InChIKey is UECRPZMTENCPRO-WYMLVPIESA-N. The full InChI is InChI=1S/C15H27BrO2/c1-3-17-13(2)18-15-11-9-7-5-4-6-8-10-14(16)12-15/h12-13,15H,3-11H2,1-2H3/b14-12+.
What are the key properties of (1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene?
(1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene has a molecular weight of 319.28 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-bromo-3-(1-ethoxyethoxy)cycloundecene is sourced from PubChem (CID 22749331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).